3-(2,2-difluoroethoxy)-2-ethyl-2-methylcyclobutan-1-one

C9H14F2O2 — CID 82010022

IUPAC3-(2,2-difluoroethoxy)-2-ethyl-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1OCC(F)F
InChIInChI=1S/C9H14F2O2/c1-3-9(2)6(12)4-7(9)13-5-8(10)11/h7-8H,3-5H2,1-2H3
InChIKeyCDOPCIKMMJHHGN-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.03
Rot. Bonds4

About 3-(2,2-difluoroethoxy)-2-ethyl-2-methylcyclobutan-1-one

3-(2,2-difluoroethoxy)-2-ethyl-2-methylcyclobutan-1-one (PubChem CID 82010022) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-2-ethyl-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-2-ethyl-2-methylcyclobutan-1-one
PubChem CID82010022
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name3-(2,2-difluoroethoxy)-2-ethyl-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1OCC(F)F
InChIInChI=1S/C9H14F2O2/c1-3-9(2)6(12)4-7(9)13-5-8(10)11/h7-8H,3-5H2,1-2H3
InChIKeyCDOPCIKMMJHHGN-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Diethyl-3-methoxycyclobutan-1-one
CID 66367012
Cyclobutanone, 2,2-diethyl-3-methoxy-4-methyl-
CID 71757914
3-Ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one
CID 86206503
Propan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate
CID 118087190
3-Ethoxy-2,2-diethylcyclobutan-1-one
CID 44249467
trans-(3S,4S)-3-ethoxy-4-ethyl-2,2-dimethylcyclobutan-1-one
CID 130891467
cis-(3R,4S)-3-ethoxy-4-ethyl-2,2-dimethylcyclobutan-1-one
CID 134987970
1-(2,2,2-Trifluoroethoxy)spiro[3.4]octan-3-one
CID 66366592
2-Ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
CID 66366594
2,2-Diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
CID 66366595
2,2-Dimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
CID 66366799
1-(1,1,1-Trifluoropropan-2-yloxy)spiro[3.6]decan-3-one
CID 66367069

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-2-ethyl-2-methylcyclobutan-1-one?
The IUPAC name of 3-(2,2-difluoroethoxy)-2-ethyl-2-methylcyclobutan-1-one (CID 82010022) is 3-(2,2-difluoroethoxy)-2-ethyl-2-methylcyclobutan-1-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-2-ethyl-2-methylcyclobutan-1-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)-2-ethyl-2-methylcyclobutan-1-one is CCC1(C)C(=O)CC1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-2-ethyl-2-methylcyclobutan-1-one?
The InChIKey is CDOPCIKMMJHHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c1-3-9(2)6(12)4-7(9)13-5-8(10)11/h7-8H,3-5H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-2-ethyl-2-methylcyclobutan-1-one?
3-(2,2-difluoroethoxy)-2-ethyl-2-methylcyclobutan-1-one has a molecular weight of 192.20 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-2-ethyl-2-methylcyclobutan-1-one is sourced from PubChem (CID 82010022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).